2-N-Benzyl-5-bromopyridine-2,3-diamine - CAS 1215916-51-0
Catalog: |
BB055081 |
Product Name: |
2-N-Benzyl-5-bromopyridine-2,3-diamine |
CAS: |
1215916-51-0 |
Synonyms: |
5-Bromo-N2-(phenylmethyl)-2,3-pyridinediamine |
IUPAC Name: | 2-N-benzyl-5-bromopyridine-2,3-diamine |
Description: | 2-N-Benzyl-5-bromopyridine-2,3-diamine |
Molecular Weight: | 278.15 |
Molecular Formula: | C12H12BrN3 |
Canonical SMILES: | C1=CC=C(C=C1)CNC2=C(C=C(C=N2)Br)N |
InChI: | InChI=1S/C12H12BrN3/c13-10-6-11(14)12(16-8-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7,14H2,(H,15,16) |
InChI Key: | PRPNJRHVYRAKKG-UHFFFAOYSA-N |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.02146 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.02146 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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